General Information of the Compound
Compound ID
CP0520783
Compound Name
N-(1-methylindol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
    Show/Hide
Structure
Formula
C23H25N3O3
Molecular Weight
391.471
Canonical SMILES
Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1
    Show/Hide
InChI
InChI=1S/C23H25N3O3/c1-16-3-6-19(7-4-16)29-20-10-13-26(14-11-20)23(28)22(27)24-18-5-8-21-17(15-18)9-12-25(21)2/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,24,27)
    Show/Hide
InChIKey
KJJUEXCVSDLJPD-UHFFFAOYSA-N
Physicochemical Property
logP
3.49522
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 146296925
ChEMBL ID
CHEMBL4846787
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
EC50 = 120 nM
   TI
   LI
   LO
   TS